Geometry & MOs

Info

ID:	446123
PubChem CID:	135272525
Reduced:	PN4O6C18H27 (1)
Stoich.:	AB4C6D18E27 (1)
Weight, g/mol:	444.165837
ΔH_f, kcal/mol:	-242.9
Dipole, Da:	3.02
IP(EA), eV:	-9.6(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-6-(5-methyl-1H-indazol-4-yl)-5-oxo-2-(1-prop-2-enoylazetidin-3-yl)pyrimido[4,5-d]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)C(=O)P)NC(=O)CCCCC(=O)NCCN1C(=O)C=CC1=O

DOS

IR

Vibrations